[4-[(5-bromo-2-methylphenoxy)methyl]thiadiazol-5-yl]hydrazine

C10H11BrN4OS — CID 107285504

IUPAC[4-[(5-bromo-2-methylphenoxy)methyl]thiadiazol-5-yl]hydrazine
SMILESCc1ccc(Br)cc1OCc1nnsc1NN
InChIInChI=1S/C10H11BrN4OS/c1-6-2-3-7(11)4-9(6)16-5-8-10(13-12)17-15-14-8/h2-4,13H,5,12H2,1H3
InChIKeyXCJKDZXYPFWLGV-UHFFFAOYSA-N
MW315.20 g/mol
LogP2.47
Rot. Bonds4

About [4-[(5-bromo-2-methylphenoxy)methyl]thiadiazol-5-yl]hydrazine

[4-[(5-bromo-2-methylphenoxy)methyl]thiadiazol-5-yl]hydrazine (PubChem CID 107285504) has the molecular formula C10H11BrN4OS and a molecular weight of 315.20 g/mol. Its IUPAC name is [4-[(5-bromo-2-methylphenoxy)methyl]thiadiazol-5-yl]hydrazine.

Molecular Properties

Compound Name[4-[(5-bromo-2-methylphenoxy)methyl]thiadiazol-5-yl]hydrazine
PubChem CID107285504
Molecular FormulaC10H11BrN4OS
Molecular Weight315.20 g/mol
Exact Mass313.98
IUPAC Name[4-[(5-bromo-2-methylphenoxy)methyl]thiadiazol-5-yl]hydrazine
SMILESCc1ccc(Br)cc1OCc1nnsc1NN
InChIInChI=1S/C10H11BrN4OS/c1-6-2-3-7(11)4-9(6)16-5-8-10(13-12)17-15-14-8/h2-4,13H,5,12H2,1H3
InChIKeyXCJKDZXYPFWLGV-UHFFFAOYSA-N
XLogP2.47
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.20
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[(5-bromo-2-methylphenoxy)methyl]thiadiazol-5-amine
CID 107285489
[4-[(2-bromo-4-methoxyphenoxy)methyl]thiadiazol-5-yl]hydrazine
CID 104708258
[4-[(4-bromo-3-methylphenoxy)methyl]thiadiazol-5-yl]hydrazine
CID 83140831
[4-[(2,3,5-trimethylphenoxy)methyl]thiadiazol-5-yl]hydrazine
CID 62245263
[4-[(2-tert-butyl-5-methylphenoxy)methyl]thiadiazol-5-yl]hydrazine
CID 62246934
[4-[(3-methoxyphenoxy)methyl]thiadiazol-5-yl]hydrazine
CID 62245057
[4-[(3-methylphenoxy)methyl]thiadiazol-5-yl]hydrazine
CID 62244685
[4-[(2-chlorophenoxy)methyl]thiadiazol-5-yl]hydrazine
CID 62244126
4-[(4-bromo-2-chlorophenoxy)methyl]-N-ethylthiadiazol-5-amine
CID 62193786
4-[(5-fluoro-2-methylphenoxy)methyl]-N-propylthiadiazol-5-amine
CID 102984989
N-ethyl-4-[(2-methyl-5-propan-2-ylphenoxy)methyl]thiadiazol-5-amine
CID 62189051
[3-[(5-bromo-2-methylphenoxy)methyl]-2-pyridinyl]hydrazine
CID 107285501

Frequently Asked Questions

What is the IUPAC name of [4-[(5-bromo-2-methylphenoxy)methyl]thiadiazol-5-yl]hydrazine?
The IUPAC name of [4-[(5-bromo-2-methylphenoxy)methyl]thiadiazol-5-yl]hydrazine (CID 107285504) is [4-[(5-bromo-2-methylphenoxy)methyl]thiadiazol-5-yl]hydrazine.
What is the SMILES notation for [4-[(5-bromo-2-methylphenoxy)methyl]thiadiazol-5-yl]hydrazine?
The canonical SMILES for [4-[(5-bromo-2-methylphenoxy)methyl]thiadiazol-5-yl]hydrazine is Cc1ccc(Br)cc1OCc1nnsc1NN.
What is the InChIKey of [4-[(5-bromo-2-methylphenoxy)methyl]thiadiazol-5-yl]hydrazine?
The InChIKey is XCJKDZXYPFWLGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN4OS/c1-6-2-3-7(11)4-9(6)16-5-8-10(13-12)17-15-14-8/h2-4,13H,5,12H2,1H3.
What are the key properties of [4-[(5-bromo-2-methylphenoxy)methyl]thiadiazol-5-yl]hydrazine?
[4-[(5-bromo-2-methylphenoxy)methyl]thiadiazol-5-yl]hydrazine has a molecular weight of 315.20 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(5-bromo-2-methylphenoxy)methyl]thiadiazol-5-yl]hydrazine is sourced from PubChem (CID 107285504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).